SCHEMBL2409025

SCHEMBL2409025

CC(NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.65
HDAC3 O15379 6/20 0.65
HDAC8 Q9BY41 6/20 0.65
HDAC11 Q96DB2 4/20 0.65
NR1H4 Q96RI1 3/20 0.59
HDAC1 Q13547 2/20 0.58
EPHX2 P34913 1/20 0.54
HSD17B10 Q99714 1/20 0.51
TRPV1 Q8NER1 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2407256 0.88 HDAC3 (0.54) HDAC6HDAC3HDAC8HDAC11EPHX2
SCHEMBL2412300 0.86 HSD17B10 (0.54) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2410420 0.86 NR1H4 (0.78) HDAC6HDAC3HDAC8HDAC11NR1H4
SCHEMBL2408891 0.85 KMT2A (0.56) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2413461 0.83 ALDH1A1 (0.59) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2406409 0.82 HSD17B10 (0.49) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2413556 0.82 HSD17B10 (0.49) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2406978 0.82 ALDH1A1 (0.56) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2406455 0.81 TSHR (0.53) HDAC6HDAC3HDAC8HDAC11HDAC1
SCHEMBL2406477 0.81 TSHR (0.53) HDAC6HDAC3HDAC8HDAC11HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC6 1/4885HDAC3 5/4885HDAC8 15/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC6 1/4885HDAC3 5/4885HDAC8 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.